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氯化钡，二水CAS号 : 10326-27-9分子式: BaCl2•2H2O 分子量: 244.26SMILES: [Cl-].[Cl-].[Ba+2];[Cl-].[Cl-].O.O.[Ba+2];O.O.Cl[Ba]Cl
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乙二胺四乙酸二钠,二水分子式: C10H14N2Na2O8·2H2O 分子量: 372.24IUPAC Name: disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;dihydrateSMILES: C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)O)CC(=O)O.O.O.[Na+].[Na+]InChIKey: OVBJJZOQPCKUOR-UHFFFAOYSA-LInChI: InChI=1S/C10H16N2O8.2Na.2H2O/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;2*1H2/q;2*+1;;/p-2
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脱氢松香胺CAS号 : 1446-61-3分子式: C20H31N 分子量: 285.48IUPAC Name: [(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamineSMILES: CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)CN)CInChIKey: JVVXZOOGOGPDRZ-SLFFLAALSA-NInChI: InChI=1S/C20H31N/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18H,5,7,9-11,13,21H2,1-4H3/t18-,19-,20+/m0/s1
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L-丙氨酸-2-¹³C,¹⁵NCAS号 : 285977-86-8 Compound CID : 12205390分子式: CH313CH(15NH2)CO2H 分子量: 91.08IUPAC Name: (2R)-2-(15N)azanyl(213C)propanoic acidSMILES: CC(C(=O)O)NInChIKey: QNAYBMKLOCPYGJ-GMWHYDPQSA-NInChI: InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1/i2+1,4+1
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甘氨酸-2-¹³C,¹⁵NCAS号 : 91795-59-4 Compound CID : 11320906分子式: H215N13CH2CO2H 分子量: 77.05IUPAC Name: 2-(15N)azanylacetic acidSMILES: C(C(=O)O)NInChIKey: DHMQDGOQFOQNFH-ZKDXJZICSA-NInChI: InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)/i1+1,3+1
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胍-¹³C,¹⁵N₃盐酸盐CAS号 : 285977-73-3 Compound CID : 16217553分子式: 13CH6Cl¹⁵N3 分子量: 99.5IUPAC Name: (13C)guanidine;hydrochlorideSMILES: C(=N)(N)N.ClInChIKey: PJJJBBJSCAKJQF-UJNKEPEOSA-NInChI: InChI=1S/CH5N3.ClH/c2-1(3)4;/h(H5,2,3,4);1H/i1+1,2+1,3+1,4+1;
